5XD5
Crystal structure of Mycobacterium smegmatis MutT1 in complex with ATP, magnesium fluoride and phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-11-20 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.95372 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.050, 64.440, 103.040 |
Unit cell angles | 90.00, 102.59, 90.00 |
Refinement procedure
Resolution | 54.260 - 1.750 |
R-factor | 0.16824 |
Rwork | 0.166 |
R-free | 0.20503 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5gg5 |
RMSD bond length | 0.017 |
RMSD bond angle | 1.851 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.260 | 1.840 |
High resolution limit [Å] | 1.750 | 1.750 |
Number of reflections | 64503 | 9244 |
<I/σ(I)> | 12.2 | 2.1 |
Completeness [%] | 99.7 | 98.3 |
Redundancy | 4.2 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 8.5 | 293 | 0.2M sodium acetate trihydrate, 0.1M Tris-HCl pH 8.5, 30%(w/v) PEG4000 |